In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 28 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.59 | 7.31 | -36.24 | 3 | 5 | 1 | 66 | 395.914 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 6.64 | -11.01 | 2 | 5 | 0 | 65 | 394.906 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.